SCHEMBL4919013

SCHEMBL4919013

N=C(N)N(CCCCN1CCN(CCCCC(N)=O)CC1)C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
PLAU P00749 2/20 0.34
CYP1A2 P05177 2/20 0.34
SLC9A5 Q14940 2/20 0.34
SLC22A1 O15245 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
SLC9A1 P19634 1/20 0.34
MAOA P21397 1/20 0.34
ADORA2A P29274 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1928765 0.89 SCNN1A (0.40) SCNN1AKDM4EALDH1A1GLAHPGD
Bromide SCHEMBL4693421 0.84 SCNN1A (0.44) SCNN1AKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL4693835 0.83 KDM4E (0.46) SCNN1AKDM4EALDH1A1GLAHPGD
Bromide SCHEMBL4789642 0.83 SCNN1A (0.43) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL1930542 0.82 SCNN1A (0.39) SCNN1AKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL5035664 0.81 SLC9A5 (0.33) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL1930898 0.80 KDM4E (0.32) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL1930588 0.80 KDM4E (0.32) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL6013440 0.79 SCNN1A (0.40) SCNN1AKDM4EALDH1A1GLAHPGD
SCHEMBL4418118 0.79 SCNN1A (0.40) SCNN1AKDM4EALDH1A1GLAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers PARION SCIENCES, INC. (US) 2008-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers HCN4, CACNA1B, SCN5A SCNN1A 13/4885KDM4E 2052/4885ALDH1A1 1549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.